(E)-3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-propan-2-yl-prop-2-enamide

Systemtic Name: (E)-3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (E)-3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-propan-2-yl-2-propenamide IUPAC Name: (E)-3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (E)-3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-isopropyl-acrylamide Formula: C29H35N3O MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C(C#N)C(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)/C=C(\C#N)/C(=O)NC(C)C

InChI

InChI=1S/C29H35N3O/c1-18(2)31-28(33)25(17-30)13-24-9-19(3)32(20(24)4)27-7-5-26(6-8-27)29-14-21-10-22(15-29)12-23(11-21)16-29/h5-9,13,18,21-23H,10-12,14-16H2,1-4H3,(H,31,33)/b25-13+